%chk=000185002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185002

0 1
Cl 6.355648 -0.417987 1.539206
F 6.620708 -2.881675 0.250207
F 5.551758 -2.352921 -1.497866
F 4.538374 -3.242125 0.134941
O 0.757069 2.354667 -1.011761
O 1.338232 0.171670 -0.882076
C 2.811864 1.288554 1.751855
C 3.866452 1.107390 0.647781
C 2.577413 1.880436 0.345128
C 2.001759 0.100847 2.197929
C 3.118138 2.263807 2.861552
C 4.119921 -0.229473 0.076297
C 1.531795 1.322436 -0.545070
C 5.189980 -0.962610 0.409918
C -0.401365 2.020804 -1.846862
C 5.473352 -2.321941 -0.156530
C -1.619274 1.944724 -0.971998
C -2.251200 0.723839 -0.679465
C -1.721776 -0.592476 -1.175952
C -3.421277 0.728645 0.119419
C -2.575518 -1.187072 -2.305901
C -2.128231 3.145271 -0.447202
C -4.090362 -1.101497 -2.050726
C -4.129579 -0.537523 0.413425
C -4.455096 -1.433808 -0.630013
C -3.923130 1.934339 0.623998
C -3.272547 3.140910 0.347329
C -4.475584 -0.856448 1.734422
C -5.125082 -2.626748 -0.329549
C -5.144026 -2.049508 2.022412
C -5.469275 -2.933238 0.990281
H 4.782335 1.723017 0.714535
H 2.663961 2.976212 0.235206
H 2.571809 -0.527731 2.895929
H 1.079901 0.409836 2.708850
H 1.695951 -0.549372 1.361706
H 3.728613 3.114275 2.534898
H 2.194481 2.676633 3.291113
H 3.665534 1.769730 3.677083
H 3.367564 -0.604857 -0.641302
H -0.195390 1.083218 -2.400998
H -0.424644 2.878397 -2.545253
H -0.661734 -0.506705 -1.510596
H -1.679923 -1.309930 -0.325867
H -2.283317 -2.246679 -2.448249
H -2.344627 -0.673418 -3.259144
H -1.617314 4.083937 -0.661400
H -4.618981 -1.765752 -2.762548
H -4.447762 -0.075069 -2.286062
H -4.829257 1.933662 1.229704
H -3.663489 4.073582 0.749159
H -4.214508 -0.173736 2.541935
H -5.377405 -3.323245 -1.127014
H -5.408167 -2.289342 3.050133
H -5.989270 -3.863352 1.212552


%chk=000185002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185002

0 1
Cl 7.068886 0.337771 0.206390
F 6.471446 -1.807941 -2.026969
F 4.664963 -2.699195 -0.977691
F 6.712879 -2.781278 -0.000497
O 0.863733 2.220249 -0.810802
O 1.413448 -0.024396 -0.463824
C 2.967100 1.153104 2.059236
C 4.011199 1.060361 0.914112
C 2.636980 1.779445 0.677398
C 2.237158 -0.096669 2.543962
C 3.289915 2.153012 3.170178
C 4.322138 -0.217108 0.250263
C 1.609961 1.198498 -0.228499
C 5.562636 -0.639925 -0.095405
C -0.281436 1.816971 -1.717118
C 5.847075 -1.953029 -0.761536
C -1.601113 1.831975 -0.971843
C -2.330466 0.645300 -0.664201
C -1.817386 -0.755594 -0.971982
C -3.600479 0.766141 -0.005574
C -2.533858 -1.426756 -2.177250
C -2.114168 3.101626 -0.593778
C -4.079655 -1.247440 -2.123455
C -4.432727 -0.444288 0.280932
C -4.661338 -1.432706 -0.730048
C -4.079518 2.044702 0.376033
C -3.338374 3.211367 0.092381
C -5.029981 -0.610948 1.558392
C -5.464102 -2.557007 -0.420517
C -5.829549 -1.736449 1.851304
C -6.045319 -2.718067 0.857741
H 4.856836 1.750937 1.002921
H 2.687443 2.870127 0.622253
H 2.894796 -0.680965 3.213513
H 1.339708 0.195522 3.119778
H 1.906343 -0.748165 1.720425
H 3.829815 3.037803 2.787571
H 2.360357 2.503557 3.655859
H 3.921215 1.677369 3.943492
H 3.480915 -0.878845 0.005621
H -0.039417 0.842061 -2.166516
H -0.253757 2.606192 -2.485473
H -0.726239 -0.763799 -1.125434
H -2.003496 -1.384461 -0.080125
H -2.275578 -2.503623 -2.175664
H -2.161772 -1.005156 -3.132256
H -1.538262 4.002357 -0.837778
H -4.554959 -1.951669 -2.830946
H -4.320091 -0.225519 -2.476791
H -5.054627 2.122583 0.870196
H -3.724278 4.194142 0.383533
H -4.842750 0.140177 2.334720
H -5.643539 -3.310088 -1.197702
H -6.273270 -1.850052 2.846611
H -6.661940 -3.597611 1.074358


